2-nitro-N-[5-(3-phenylprop-2-enylsulfanyl)-1,3,4-thiadiazol-2-yl]benzamide

Systemtic Name: 2-nitro-N-[5-(3-phenylprop-2-enylsulfanyl)-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: N-(5-cinnamylsulfanyl-1,3,4-thiadiazol-2-yl)-2-nitro-benzamide CAS Name: 2-nitro-N-[5-(3-phenylprop-2-enylthio)-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: 2-nitro-N-[5-(3-phenylprop-2-enylsulfanyl)-1,3,4-thiadiazol-2-yl]benzamide Traditional Name: N-[5-(cinnamylthio)-1,3,4-thiadiazol-2-yl]-2-nitro-benzamide Formula: C18H14N4O3S2 MolecularWeight: 398.45876

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CCSC2=NN=C(S2)NC(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C=CCSC2=NN=C(S2)NC(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C18H14N4O3S2/c23-16(14-10-4-5-11-15(14)22(24)25)19-17-20-21-18(27-17)26-12-6-9-13-7-2-1-3-8-13/h1-11H,12H2,(H,19,20,23)